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ZINC Item

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64980360

Analogs

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Popular Name: N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide N-[3-(2-methoxyphenyl)-[1,2,4]tr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.30	9.03	-17.16	1	7	0	81	351.391	4	↓ MOL2 SDF SMILES Flexibase

64980361

Analogs

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Popular Name: N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide N-[3-(3-fluoro-4-methyl-phenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	10.13	-12.59	1	6	0	72	353.382	3	↓ MOL2 SDF SMILES Flexibase

64980362

Analogs

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Popular Name: N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-fluoro-benzamide N-[3-(4-ethoxyphenyl)-[1,2,4]tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.89	9.72	-13.81	1	7	0	81	383.408	5	↓ MOL2 SDF SMILES Flexibase

64980363

Analogs

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Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-fluoro-benzamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.11	10.01	-12.79	1	6	0	72	373.8	3	↓ MOL2 SDF SMILES Flexibase

64980365

Analogs

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Popular Name: 4-chloro-N-[3-(m-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-chloro-N-[3-(m-tolyl)-[1,2,4]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.40	10.6	-13.8	1	6	0	72	369.837	3	↓ MOL2 SDF SMILES Flexibase

64980366

Analogs

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Popular Name: 4-chloro-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-chloro-N-[3-(4-methoxyphenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	9.24	-13.69	1	7	0	81	385.836	4	↓ MOL2 SDF SMILES Flexibase

64980367

Analogs

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Popular Name: 4-chloro-N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-chloro-N-[3-(2-methoxyphenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.98	9.55	-17.1	1	7	0	81	385.836	4	↓ MOL2 SDF SMILES Flexibase

64980376

Analogs

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Popular Name: 4-methyl-N-[3-(m-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-methyl-N-[3-(m-tolyl)-[1,2,4]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.17	10.76	-13.57	1	6	0	72	349.419	3	↓ MOL2 SDF SMILES Flexibase

64980377

Analogs

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Popular Name: N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-methyl-benzamide N-[3-(4-methoxyphenyl)-[1,2,4]tr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	9.4	-13.39	1	7	0	81	365.418	4	↓ MOL2 SDF SMILES Flexibase

64980379

Analogs

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Popular Name: 2-chloro-N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 2-chloro-N-[3-(3-fluoro-4-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.46	10.64	-14.54	1	6	0	72	387.827	3	↓ MOL2 SDF SMILES Flexibase

64980380

Analogs

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Popular Name: 3-bromo-N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 3-bromo-N-[3-(3,4-dimethoxypheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.73	9.24	-17.25	1	8	0	91	460.313	5	↓ MOL2 SDF SMILES Flexibase

64980382

Analogs

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Popular Name: 2-bromo-N-[3-(m-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 2-bromo-N-[3-(m-tolyl)-[1,2,4]tr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.48	10.72	-15.8	1	6	0	72	414.288	3	↓ MOL2 SDF SMILES Flexibase

64980383

Analogs

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Popular Name: 2-bromo-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 2-bromo-N-[3-(4-methoxyphenyl)-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.11	9.35	-15.49	1	7	0	81	430.287	4	↓ MOL2 SDF SMILES Flexibase

64980408

Analogs

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Popular Name: N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-methyl-benzamide N-[3-(3-fluoro-4-methyl-phenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	10.81	-13.41	1	6	0	72	367.409	3	↓ MOL2 SDF SMILES Flexibase

64980409

Analogs

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Popular Name: N-[3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methyl-benzamide N-[3-(4-chlorophenyl)-[1,2,4]tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.40	10.62	-11.82	1	6	0	72	369.837	3	↓ MOL2 SDF SMILES Flexibase

64980410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methyl-benzamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	10.6	-13.47	1	6	0	72	369.837	3	↓ MOL2 SDF SMILES Flexibase

64980411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methyl-benzamide N-[3-(3-fluoro-4-methyl-phenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	10.81	-13.88	1	6	0	72	367.409	3	↓ MOL2 SDF SMILES Flexibase

64980412

Analogs

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Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-fluoro-benzamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.06	10.02	-17.17	1	6	0	72	373.8	3	↓ MOL2 SDF SMILES Flexibase

64980413

Analogs

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Popular Name: 2-fluoro-N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 2-fluoro-N-[3-(3-fluoro-4-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.95	10.22	-15.95	1	6	0	72	371.372	3	↓ MOL2 SDF SMILES Flexibase

64980466

Analogs

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Popular Name: 4-methoxy-N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-methoxy-N-[3-(2-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	8.36	-17.76	1	8	0	91	381.417	5	↓ MOL2 SDF SMILES Flexibase

64980467

Analogs

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Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-methoxy-benzamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.00	9.25	-14.18	1	7	0	81	385.836	4	↓ MOL2 SDF SMILES Flexibase

64980468

Analogs

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Popular Name: N-[3-(3-chloro-4-fluoro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-methoxy-benzamide N-[3-(3-chloro-4-fluoro-phenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.12	9.3	-13.04	1	7	0	81	403.826	4	↓ MOL2 SDF SMILES Flexibase

64980469

Analogs

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Popular Name: 4-tert-butyl-N-[3-(m-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-tert-butyl-N-[3-(m-tolyl)-[1,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.42	12.41	-13.14	1	6	0	72	391.5	4	↓ MOL2 SDF SMILES Flexibase

64980470

Analogs

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Popular Name: 4-tert-butyl-N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-tert-butyl-N-[3-(4-ethoxypheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.43	11.96	-12.7	1	7	0	81	421.526	6	↓ MOL2 SDF SMILES Flexibase

64980471

Analogs

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Popular Name: 4-tert-butyl-N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-tert-butyl-N-[3-(2-methoxyphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.01	11.36	-16.53	1	7	0	81	407.499	5	↓ MOL2 SDF SMILES Flexibase

64980472

Analogs

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Popular Name: 4-tert-butyl-N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-tert-butyl-N-[3-(3-chloropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.65	12.25	-12.89	1	6	0	72	411.918	4	↓ MOL2 SDF SMILES Flexibase

64980473

Analogs

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Popular Name: 4-tert-butyl-N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-tert-butyl-N-[3-(3-fluoro-4-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.54	12.45	-11.89	1	6	0	72	409.49	4	↓ MOL2 SDF SMILES Flexibase

64980474

Analogs

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Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methoxy-benzamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.98	9.23	-15.84	1	7	0	81	385.836	4	↓ MOL2 SDF SMILES Flexibase

64980475

Analogs

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Popular Name: N-[3-(3-chloro-4-fluoro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methoxy-benzamide N-[3-(3-chloro-4-fluoro-phenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.10	9.28	-14.63	1	7	0	81	403.826	4	↓ MOL2 SDF SMILES Flexibase

64980478

Analogs

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Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4,5-trimethoxy-benzamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	9.09	-16.76	1	9	0	100	445.888	6	↓ MOL2 SDF SMILES Flexibase

64980481

Analogs

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Popular Name: 3-chloro-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 3-chloro-N-[3-(4-methoxyphenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.00	9.23	-15.08	1	7	0	81	385.836	4	↓ MOL2 SDF SMILES Flexibase

64980482

Analogs

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Popular Name: 3-chloro-N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 3-chloro-N-[3-(2-methoxyphenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	9.54	-18.61	1	7	0	81	385.836	4	↓ MOL2 SDF SMILES Flexibase

64980483

Analogs

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Popular Name: 3-fluoro-N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 3-fluoro-N-[3-(3-fluoro-4-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.97	10.2	-14.53	1	6	0	72	371.372	3	↓ MOL2 SDF SMILES Flexibase

64980484

Analogs

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Popular Name: 4-bromo-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-bromo-N-[3-(4-methoxyphenyl)-[…

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Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.16	9.34	-13.57	1	7	0	81	430.287	4	↓ MOL2 SDF SMILES Flexibase

64980489

Analogs

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Popular Name: 4-ethoxy-N-[3-(m-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-ethoxy-N-[3-(m-tolyl)-[1,2,4]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	10.34	-14.18	1	7	0	81	379.445	5	↓ MOL2 SDF SMILES Flexibase

64980490

Analogs

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Popular Name: 4-ethoxy-N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-ethoxy-N-[3-(2-methoxyphenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.73	9.29	-17.51	1	8	0	91	395.444	6	↓ MOL2 SDF SMILES Flexibase

64980491

Analogs

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Popular Name: 4-ethoxy-N-[3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-ethoxy-N-[3-(3-fluorophenyl)-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.87	9.75	-14.47	1	7	0	81	383.408	5	↓ MOL2 SDF SMILES Flexibase

64980492

Analogs

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Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-ethoxy-benzamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.38	10.19	-13.94	1	7	0	81	399.863	5	↓ MOL2 SDF SMILES Flexibase

64980493

Analogs

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Popular Name: N-[3-(3-chloro-4-fluoro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-ethoxy-benzamide N-[3-(3-chloro-4-fluoro-phenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.50	10.24	-12.75	1	7	0	81	417.853	5	↓ MOL2 SDF SMILES Flexibase

64980494

Analogs

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Popular Name: 4-ethoxy-N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 4-ethoxy-N-[3-(3-fluoro-4-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.27	10.39	-14.36	1	7	0	81	397.435	5	↓ MOL2 SDF SMILES Flexibase

64980495

Analogs

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Popular Name: 3,4,5-triethoxy-N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzami 3,4,5-triethoxy-N-[3-(3-fluoro-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.59	12.09	-16.58	1	9	0	100	485.541	9	↓ MOL2 SDF SMILES Flexibase

64980505

Analogs

15674559
15674561

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Popular Name: 3,5-dimethoxy-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide 3,5-dimethoxy-N-(3-phenyl-[1,2,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.34	8.04	-14.7	1	8	0	91	381.417	5	↓ MOL2 SDF SMILES Flexibase

64980506

Analogs

15674559

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Popular Name: 3,5-dimethoxy-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 3,5-dimethoxy-N-[3-(4-methoxyphe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.39	7.34	-14.42	1	9	0	100	411.443	6	↓ MOL2 SDF SMILES Flexibase

64980507

Analogs

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Popular Name: 3,5-dimethoxy-N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 3,5-dimethoxy-N-[3-(2-methoxyphe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.34	7.65	-17.88	1	9	0	100	411.443	6	↓ MOL2 SDF SMILES Flexibase

64980508

Analogs

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Popular Name: N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,5-dimethoxy-benzamid N-[3-(3-fluoro-4-methyl-phenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.88	8.75	-13.49	1	8	0	91	413.434	5	↓ MOL2 SDF SMILES Flexibase

64980509

Analogs

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Popular Name: 2-ethoxy-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 2-ethoxy-N-[3-(4-methoxyphenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.28	10.1	-16.11	1	8	0	91	395.444	6	↓ MOL2 SDF SMILES Flexibase

64980510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide 2-ethoxy-N-[3-(3-fluoro-4-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.77	11.51	-16.47	1	7	0	81	397.435	5	↓ MOL2 SDF SMILES Flexibase

64980512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(trifluoromethyl)benzamide N-(3-phenyl-[1,2,4]triazolo[3,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	10.45	-18.57	1	6	0	72	389.362	4	↓ MOL2 SDF SMILES Flexibase

64980513

Analogs

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Popular Name: N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(trifluoromethyl)benzamide N-[3-(4-methoxyphenyl)-[1,2,4]tr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.20	9.75	-18.2	1	7	0	81	419.388	5	↓ MOL2 SDF SMILES Flexibase

64980514

Analogs

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Popular Name: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(trifluoromethyl)benzamid N-[3-(3,4-dimethoxyphenyl)-[1,2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.79	9.67	-20.37	1	8	0	91	449.414	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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